PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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4Y5B	Endothiapepsin in complex with fragment 261 分子名称: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4Y5P	Endothiapepsin in complex with fragment 338 分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.229 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
3L3T	Human mesotrypsin complexed with amyloid precursor protein inhibitor variant (APPIR15K) 分子名称: CALCIUM ION, FORMIC ACID, PRSS3 protein, ... 著者 Salameh, M.A, Soares, A.S, Radisky, E.S. 登録日 2009-12-17 公開日 2010-09-22 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.378 Å) 主引用文献 Determinants of affinity and proteolytic stability in interactions of Kunitz family protease inhibitors with mesotrypsin. J.Biol.Chem., 285, 2010
8WDI	Crystal structure of lysozyme by fixed-target pink-beam serial synchrotron crystallography 分子名称: CHLORIDE ION, Lysozyme C 著者 Nam, K.H. 登録日 2023-09-15 公開日 2023-10-04 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Fixed-Target Pink-Beam Serial Synchrotron Crystallography at Pohang Light Source II. Crystals, 13, 2023
4YL9	Crystal Structure of wild-type of hsp14.1 from Sulfolobus solfatataricus P2 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Heat shock protein Hsp20 著者 Liu, L, Chen, J.Y, Yun, C.H. 登録日 2015-03-05 公開日 2015-11-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.353 Å) 主引用文献 Active-State Structures of a Small Heat-Shock Protein Revealed a Molecular Switch for Chaperone Function Structure, 23, 2015
3KOH	Cytochrome P450 2E1 with omega-imidazolyl octanoic acid 分子名称: 8-(1H-imidazol-1-yl)octanoic acid, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE 著者 Scott, E.E, Porubsky, P.R. 登録日 2009-11-13 公開日 2010-05-12 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode. J.Biol.Chem., 285, 2010
4Y3F	Endothiapepsin in complex with fragment 78 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6RQ8	CYP121 in complex with 3-iodo dicyclotyrosine 分子名称: (3~{S},6~{S})-3-[(4-hydroxyphenyl)methyl]-6-[(3-iodanyl-4-oxidanyl-phenyl)methyl]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mycocyclosin synthase, ... 著者 Poddar, H, Levy, C. 登録日 2019-05-15 公開日 2020-04-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct. J.Med.Chem., 62, 2019
4Y3W	Endothiapepsin in complex with fragment 35 分子名称: (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6S5H	Structure of the human RAB38 in complex with GTP 分子名称: 1,2-ETHANEDIOL, BROMIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... 著者 Diaz-Saez, L, Jung, S, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) 登録日 2019-07-01 公開日 2020-07-22 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of the human RAB38 in complex with GTP To Be Published
3KUN	X-ray structure of the metcyano form of dehaloperoxidase from amphitrite ornata: evidence for photoreductive lysis of iron-cyanide bond 分子名称: CYANIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Serrano, V.S, Chen, Z, Gaff, J.F, Rose, R, Franzen, S. 登録日 2009-11-27 公開日 2010-06-30 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond. Acta Crystallogr.,Sect.D, 66, 2010
8WGF	The Crystal Structure of JNK3 from Biortus. 分子名称: MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. 登録日 2023-09-21 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 The Crystal Structure of JNK3 from Biortus. To Be Published
4Y8Z	Factor XIa in complex with the inhibitor (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide 分子名称: (2E)-N-[(1S)-1-[5-chloro-4-(4-hydroxy-2-oxo-1,2-dihydroquinolin-6-yl)-1H-imidazol-2-yl]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 1,2-ETHANEDIOL, Coagulation factor XIa, ... 著者 Sheriff, S. 登録日 2015-02-16 公開日 2015-05-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
6RWP	Engineered beta-lactoglobulin: variant L58F in complex with myristic acid 分子名称: Beta-lactoglobulin, MYRISTIC ACID, SULFATE ION 著者 Loch, J.I, Kaczor, K, Lewinski, K. 登録日 2019-06-05 公開日 2019-06-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin. J.Struct.Biol., 210, 2020
4YDA	Crystal structure of R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human cellular retinoic acid binding proteinii with retinal at 1.95 angstrom - after 1hour visible light irradiation - 3rd cycle 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2015-02-21 公開日 2016-02-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
6RWQ	Engineered beta-lactoglobulin: variant F105L in complex with myristic acid 分子名称: 1,2-ETHANEDIOL, Beta-lactoglobulin, MYRISTIC ACID 著者 Loch, J.I, Gotkowski, M, Lewinski, K. 登録日 2019-06-05 公開日 2019-06-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin. J.Struct.Biol., 210, 2020
4YDB	Crystal structure of the R111K:Y134F:T54V:R132Q:P39Q:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.03 angstrom -UV irradiated crystal- 3rd cycle 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2015-02-21 公開日 2016-02-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.03 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
8WJY	PKMYT1_Cocrystal_Cpd 4 分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... 著者 Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. 登録日 2023-09-26 公開日 2023-11-22 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer. J.Med.Chem., 67, 2024
6RWR	Engineered beta-lactoglobulin: variant M107L in complex with myristic acid 分子名称: Beta-lactoglobulin, MYRISTIC ACID 著者 Loch, J.I, Gotkowski, M, Lewinski, K. 登録日 2019-06-05 公開日 2019-06-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin. J.Struct.Biol., 210, 2020
3KXH	Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66) 分子名称: Casein kinase II subunit alpha, DI(HYDROXYETHYL)ETHER, [4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazol-1-yl]acetic acid 著者 Papinutto, E, Franchin, C, Battistutta, R. 登録日 2009-12-03 公開日 2010-11-17 最終更新日 2017-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 ATP site-directed inhibitors of protein kinase CK2: an update. Curr Top Med Chem, 11, 2011
3KT2	Crystal Structure of N88D mutant HIV-1 Protease 分子名称: Protease 著者 Bihani, S.C, Das, A, Prashar, V, Ferrer, J.L, Hosur, M.V. 登録日 2009-11-24 公開日 2010-02-16 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.651 Å) 主引用文献 Resistance mechanism revealed by crystal structures of unliganded nelfinavir-resistant HIV-1 protease non-active site mutants N88D and N88S. Biochem.Biophys.Res.Commun., 389, 2009
6RY3	Structure of the WUS homeodomain 分子名称: ACETYL GROUP, Protein WUSCHEL, SULFATE ION 著者 Sloan, J.J, Wild, K, Sinning, I. 登録日 2019-06-10 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.374 Å) 主引用文献 Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL. Nat Commun, 11, 2020
4YCY	Endothiapepsin in complex with fragment 218 分子名称: 2-(4-ethoxy-8-methylquinazolin-2-yl)guanidine, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YD6	Endothiapepsin in complex with fragment 240 分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-21 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YEN	Room temperature X-ray diffraction studies of cisplatin binding to HEWL in DMSO media after 14 months of crystal storage - new refinement 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... 著者 Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. 登録日 2015-02-24 公開日 2015-03-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015

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